N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide

C14H31N3O2S — CID 56806273

IUPACN,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)CCCN1CCN(C)CC1
InChIInChI=1S/C14H31N3O2S/c1-14(2)6-13-20(18,19)16(4)7-5-8-17-11-9-15(3)10-12-17/h14H,5-13H2,1-4H3
InChIKeyYRUREJUOFCNSOA-UHFFFAOYSA-N
MW305.49 g/mol
LogP0.93
Rot. Bonds8

About N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide

N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide (PubChem CID 56806273) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide
PubChem CID56806273
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)CCCN1CCN(C)CC1
InChIInChI=1S/C14H31N3O2S/c1-14(2)6-13-20(18,19)16(4)7-5-8-17-11-9-15(3)10-12-17/h14H,5-13H2,1-4H3
InChIKeyYRUREJUOFCNSOA-UHFFFAOYSA-N
XLogP0.93
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide?
The IUPAC name of N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide (CID 56806273) is N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)CCCN1CCN(C)CC1.
What is the InChIKey of N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide?
The InChIKey is YRUREJUOFCNSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-14(2)6-13-20(18,19)16(4)7-5-8-17-11-9-15(3)10-12-17/h14H,5-13H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide?
N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 0.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide is sourced from PubChem (CID 56806273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).